| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 13 | Yes |
Popular Name: propanamide, 3-[[2-(diethylamino)ethyl]amino]- propanamide, 3-[[2-(diethylamino…
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CAS Number: 1040688-15-0
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.47 | -0.78 | -47.53 | 4 | 4 | 1 | 63 | 188.295 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | -1.8 | -7.58 | 3 | 4 | 0 | 58 | 187.287 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 1.54 | -117.39 | 5 | 4 | 2 | 64 | 189.303 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 0.14 | -39.15 | 4 | 4 | 1 | 60 | 188.295 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
